BindingDB logo
myBDB logout

126 similar compounds to monomer 178881

Compile data set for download or QSAR
Wt: 901.9
BDBM145096
Wt: 883.4
BDBM145097
Wt: 878.8
BDBM145021
Wt: 901.9
BDBM145055
Wt: 862.8
BDBM144998
Wt: 864.8
BDBM144999
Wt: 872.4
BDBM145063
Wt: 910.5
BDBM145109
Wt: 849.8
BDBM145064
Wt: 862.8
BDBM145012
Wt: 966.6
BDBM145026
Wt: 903.4
BDBM145032
Wt: 885.4
BDBM145033
Wt: 923.3
BDBM145168
Wt: 898.4
BDBM145177
Displayed 1 to 15 (of 126 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145096,145097,145021,145055,144998,144999,145063,145109,145064,145012,145026,145032,145033,145168,145177   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145177
PNG
(US8952157, 368 | US9303025, 368)
Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145177
PNG
(US8952157, 368 | US9303025, 368)
Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145026
PNG
(US8952157, 213 | US9303025, 213)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(CN3CCN(C)CC3)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C51H64ClN9O6S/c1-51(2)19-18-37(43(32-51)36-10-12-39(52)13-11-36)34-59-26-28-60(29-27-59)40-14-16-42(50(62)55-68(65,66)41-15-17-44(46(31-41)61(63)64)53-20-7-21-56(3)4)48(30-40)67-47-9-6-8-45-49(47)38(33-54-45)35-58-24-22-57(5)23-25-58/h6,8-17,30-31,33,53-54H,7,18-29,32,34-35H2,1-5H3,(H,55,62)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0310 -14.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145026
PNG
(US8952157, 213 | US9303025, 213)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(CN3CCN(C)CC3)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C51H64ClN9O6S/c1-51(2)19-18-37(43(32-51)36-10-12-39(52)13-11-36)34-59-26-28-60(29-27-59)40-14-16-42(50(62)55-68(65,66)41-15-17-44(46(31-41)61(63)64)53-20-7-21-56(3)4)48(30-40)67-47-9-6-8-45-49(47)38(33-54-45)35-58-24-22-57(5)23-25-58/h6,8-17,30-31,33,53-54H,7,18-29,32,34-35H2,1-5H3,(H,55,62)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0310 -14.3n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145064
PNG
(US8952157, 253 | US9303025, 253)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H46Cl2N6O7S/c1-42(2)15-14-30(37(27-42)29-6-8-31(43)9-7-29)28-47-16-18-48(19-17-47)33-10-12-36(40(25-33)57-34-5-3-4-32(44)24-34)41(51)46-58(54,55)35-11-13-38(39(26-35)50(52)53)45-49-20-22-56-23-21-49/h3-13,24-26,45H,14-23,27-28H2,1-2H3,(H,46,51)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145064
PNG
(US8952157, 253 | US9303025, 253)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H46Cl2N6O7S/c1-42(2)15-14-30(37(27-42)29-6-8-31(43)9-7-29)28-47-16-18-48(19-17-47)33-10-12-36(40(25-33)57-34-5-3-4-32(44)24-34)41(51)46-58(54,55)35-11-13-38(39(26-35)50(52)53)45-49-20-22-56-23-21-49/h3-13,24-26,45H,14-23,27-28H2,1-2H3,(H,46,51)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144999
PNG
(US8952157, 185 | US9303025, 185)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47Cl2N7O7S/c1-42(2)26-37(29-7-9-31(43)10-8-29)30(28-57-42)27-48-17-19-49(20-18-48)33-11-13-36(40(24-33)58-34-6-4-5-32(44)23-34)41(52)46-59(55,56)35-12-14-38(39(25-35)51(53)54)45-50-21-15-47(3)16-22-50/h4-14,23-25,45H,15-22,26-28H2,1-3H3,(H,46,52)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0830 -13.7n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144999
PNG
(US8952157, 185 | US9303025, 185)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47Cl2N7O7S/c1-42(2)26-37(29-7-9-31(43)10-8-29)30(28-57-42)27-48-17-19-49(20-18-48)33-11-13-36(40(24-33)58-34-6-4-5-32(44)23-34)41(52)46-59(55,56)35-12-14-38(39(25-35)51(53)54)45-50-21-15-47(3)16-22-50/h4-14,23-25,45H,15-22,26-28H2,1-3H3,(H,46,52)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0830 -13.7n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145168
PNG
(US8952157, 359 | US9303025, 359)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc(N)c(Br)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H49BrClN9O6S/c1-42(2)13-12-29(35(25-42)28-4-6-30(44)7-5-28)27-50-16-18-51(19-17-50)31-8-10-34(39(22-31)59-32-23-36(43)40(45)46-26-32)41(54)48-60(57,58)33-9-11-37(38(24-33)53(55)56)47-52-20-14-49(3)15-21-52/h4-11,22-24,26,47H,12-21,25,27H2,1-3H3,(H2,45,46)(H,48,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.110 -13.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145168
PNG
(US8952157, 359 | US9303025, 359)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc(N)c(Br)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H49BrClN9O6S/c1-42(2)13-12-29(35(25-42)28-4-6-30(44)7-5-28)27-50-16-18-51(19-17-50)31-8-10-34(39(22-31)59-32-23-36(43)40(45)46-26-32)41(54)48-60(57,58)33-9-11-37(38(24-33)53(55)56)47-52-20-14-49(3)15-21-52/h4-11,22-24,26,47H,12-21,25,27H2,1-3H3,(H2,45,46)(H,48,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.110 -13.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145032
PNG
(US8952157, 220 | US9303025, 220)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H49ClF2N8O6S/c1-45(2)14-12-31(36(27-45)29-4-6-32(46)7-5-29)28-53-18-20-54(21-19-53)33-8-10-35(39(25-33)62-40-24-30-13-15-49-43(30)42(48)41(40)47)44(57)51-63(60,61)34-9-11-37(38(26-34)56(58)59)50-55-22-16-52(3)17-23-55/h4-11,13,15,24-26,49-50H,12,14,16-23,27-28H2,1-3H3,(H,51,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.127 -13.5n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145032
PNG
(US8952157, 220 | US9303025, 220)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H49ClF2N8O6S/c1-45(2)14-12-31(36(27-45)29-4-6-32(46)7-5-29)28-53-18-20-54(21-19-53)33-8-10-35(39(25-33)62-40-24-30-13-15-49-43(30)42(48)41(40)47)44(57)51-63(60,61)34-9-11-37(38(26-34)56(58)59)50-55-22-16-52(3)17-23-55/h4-11,13,15,24-26,49-50H,12,14,16-23,27-28H2,1-3H3,(H,51,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.127 -13.5n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145097
PNG
(US8952157, 287 | US9303025, 287)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NC(=O)Cc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H51ClN8O7S/c1-45(2)16-15-31(37(28-45)30-7-9-32(46)10-8-30)29-51-19-21-52(22-20-51)33-11-13-35(42(25-33)61-41-6-4-5-38-36(41)27-43(55)47-38)44(56)49-62(59,60)34-12-14-39(40(26-34)54(57)58)48-53-23-17-50(3)18-24-53/h4-14,25-26,48H,15-24,27-29H2,1-3H3,(H,47,55)(H,49,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.131 -13.5n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145097
PNG
(US8952157, 287 | US9303025, 287)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NC(=O)Cc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H51ClN8O7S/c1-45(2)16-15-31(37(28-45)30-7-9-32(46)10-8-30)29-51-19-21-52(22-20-51)33-11-13-35(42(25-33)61-41-6-4-5-38-36(41)27-43(55)47-38)44(56)49-62(59,60)34-12-14-39(40(26-34)54(57)58)48-53-23-17-50(3)18-24-53/h4-14,25-26,48H,15-24,27-29H2,1-3H3,(H,47,55)(H,49,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.131 -13.5n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144998
PNG
(US8952157, 184 | US9303025, 184)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O6S/c1-43(2)17-16-31(36(28-43)30-8-10-32(44)11-9-30)29-49-20-22-50(23-21-49)33-12-14-35(41(26-33)58-40-7-5-4-6-37(40)45)42(53)47-59(56,57)34-13-15-38(39(27-34)52(54)55)46-51-24-18-48(3)19-25-51/h4-15,26-27,46H,16-25,28-29H2,1-3H3,(H,47,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.155 -13.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144998
PNG
(US8952157, 184 | US9303025, 184)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O6S/c1-43(2)17-16-31(36(28-43)30-8-10-32(44)11-9-30)29-49-20-22-50(23-21-49)33-12-14-35(41(26-33)58-40-7-5-4-6-37(40)45)42(53)47-59(56,57)34-13-15-38(39(27-34)52(54)55)46-51-24-18-48(3)19-25-51/h4-15,26-27,46H,16-25,28-29H2,1-3H3,(H,47,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.155 -13.4n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145033
PNG
(US8952157, 221 | US9303025, 221)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClFN8O6S/c1-45(2)14-12-32(37(28-45)30-4-6-33(46)7-5-30)29-52-18-20-53(21-19-52)34-8-10-36(42(25-34)61-43-24-31-13-15-48-40(31)27-38(43)47)44(56)50-62(59,60)35-9-11-39(41(26-35)55(57)58)49-54-22-16-51(3)17-23-54/h4-11,13,15,24-27,48-49H,12,14,16-23,28-29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.227 -13.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145033
PNG
(US8952157, 221 | US9303025, 221)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClFN8O6S/c1-45(2)14-12-32(37(28-45)30-4-6-33(46)7-5-30)29-52-18-20-53(21-19-52)34-8-10-36(42(25-34)61-43-24-31-13-15-48-40(31)27-38(43)47)44(56)50-62(59,60)35-9-11-39(41(26-35)55(57)58)49-54-22-16-51(3)17-23-54/h4-11,13,15,24-27,48-49H,12,14,16-23,28-29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.227 -13.1n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145012
PNG
(US8952157, 199 | US9303025, 199)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O6S/c1-43(2)16-15-31(38(28-43)30-7-9-32(44)10-8-30)29-49-19-21-50(22-20-49)34-11-13-37(41(26-34)58-35-6-4-5-33(45)25-35)42(53)47-59(56,57)36-12-14-39(40(27-36)52(54)55)46-51-23-17-48(3)18-24-51/h4-14,25-27,46H,15-24,28-29H2,1-3H3,(H,47,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.244 -13.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145012
PNG
(US8952157, 199 | US9303025, 199)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O6S/c1-43(2)16-15-31(38(28-43)30-7-9-32(44)10-8-30)29-49-19-21-50(22-20-49)34-11-13-37(41(26-34)58-35-6-4-5-33(45)25-35)42(53)47-59(56,57)36-12-14-39(40(27-36)52(54)55)46-51-23-17-48(3)18-24-51/h4-14,25-27,46H,15-24,28-29H2,1-3H3,(H,47,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.244 -13.1n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145021
PNG
(US8952157, 208 | US9303025, 208)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(O)cc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O7S/c1-43(2)15-14-30(36(27-43)29-4-6-31(44)7-5-29)28-49-18-20-50(21-19-49)32-8-11-35(41(24-32)59-40-13-9-33(53)25-37(40)45)42(54)47-60(57,58)34-10-12-38(39(26-34)52(55)56)46-51-22-16-48(3)17-23-51/h4-13,24-26,46,53H,14-23,27-28H2,1-3H3,(H,47,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.261 -13.1n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145021
PNG
(US8952157, 208 | US9303025, 208)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(O)cc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O7S/c1-43(2)15-14-30(36(27-43)29-4-6-31(44)7-5-29)28-49-18-20-50(21-19-49)32-8-11-35(41(24-32)59-40-13-9-33(53)25-37(40)45)42(54)47-60(57,58)34-10-12-38(39(26-34)52(55)56)46-51-22-16-48(3)17-23-51/h4-13,24-26,46,53H,14-23,27-28H2,1-3H3,(H,47,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.261 -13.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145063
PNG
(US8952157, 252 | US9303025, 252)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClFN7O7S/c1-44(2)13-11-31(36(27-44)29-3-5-32(45)6-4-29)28-50-15-17-51(18-16-50)33-7-9-35(41(24-33)60-42-23-30-12-14-47-39(30)26-37(42)46)43(54)49-61(57,58)34-8-10-38(40(25-34)53(55)56)48-52-19-21-59-22-20-52/h3-10,12,14,23-26,47-48H,11,13,15-22,27-28H2,1-2H3,(H,49,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.15 -12.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145063
PNG
(US8952157, 252 | US9303025, 252)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClFN7O7S/c1-44(2)13-11-31(36(27-44)29-3-5-32(45)6-4-29)28-50-15-17-51(18-16-50)33-7-9-35(41(24-33)60-42-23-30-12-14-47-39(30)26-37(42)46)43(54)49-61(57,58)34-8-10-38(40(25-34)53(55)56)48-52-19-21-59-22-20-52/h3-10,12,14,23-26,47-48H,11,13,15-22,27-28H2,1-2H3,(H,49,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.15 -12.2n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145055
PNG
(US8952157, 244 | US9303025, 244)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50Cl2N8O6S/c1-45(2)14-12-32(37(28-45)30-4-6-33(46)7-5-30)29-52-18-20-53(21-19-52)34-8-10-36(42(25-34)61-43-24-31-13-15-48-40(31)27-38(43)47)44(56)50-62(59,60)35-9-11-39(41(26-35)55(57)58)49-54-22-16-51(3)17-23-54/h4-11,13,15,24-27,48-49H,12,14,16-23,28-29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.73 -11.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145055
PNG
(US8952157, 244 | US9303025, 244)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50Cl2N8O6S/c1-45(2)14-12-32(37(28-45)30-4-6-33(46)7-5-30)29-52-18-20-53(21-19-52)34-8-10-36(42(25-34)61-43-24-31-13-15-48-40(31)27-38(43)47)44(56)50-62(59,60)35-9-11-39(41(26-35)55(57)58)49-54-22-16-51(3)17-23-54/h4-11,13,15,24-27,48-49H,12,14,16-23,28-29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.73 -11.9n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145096
PNG
(US8952157, 286 | US9303025, 286)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(Cl)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50Cl2N8O6S/c1-45(2)16-15-31(36(27-45)30-7-9-32(46)10-8-30)29-52-19-21-53(22-20-52)33-11-13-35(42(25-33)61-41-6-4-5-39-43(41)37(47)28-48-39)44(56)50-62(59,60)34-12-14-38(40(26-34)55(57)58)49-54-23-17-51(3)18-24-54/h4-14,25-26,28,48-49H,15-24,27,29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.18 -11.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145096
PNG
(US8952157, 286 | US9303025, 286)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(Cl)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50Cl2N8O6S/c1-45(2)16-15-31(36(27-45)30-7-9-32(46)10-8-30)29-52-19-21-53(22-20-52)33-11-13-35(42(25-33)61-41-6-4-5-39-43(41)37(47)28-48-39)44(56)50-62(59,60)34-12-14-38(40(26-34)55(57)58)49-54-23-17-51(3)18-24-54/h4-14,25-26,28,48-49H,15-24,27,29H2,1-3H3,(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.18 -11.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145109
PNG
(US8952157, 300 | US9303025, 300)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]cc(CCN)c2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H56ClN9O6S/c1-47(2)16-14-34(41(29-47)32-4-6-35(48)7-5-32)31-54-20-22-55(23-21-54)36-8-11-39(45(26-36)63-37-9-12-42-40(27-37)33(15-17-49)30-50-42)46(58)52-64(61,62)38-10-13-43(44(28-38)57(59)60)51-56-24-18-53(3)19-25-56/h4-13,26-28,30,50-51H,14-25,29,31,49H2,1-3H3,(H,52,58)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
13.7 -10.7n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145109
PNG
(US8952157, 300 | US9303025, 300)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]cc(CCN)c2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H56ClN9O6S/c1-47(2)16-14-34(41(29-47)32-4-6-35(48)7-5-32)31-54-20-22-55(23-21-54)36-8-11-39(45(26-36)63-37-9-12-42-40(27-37)33(15-17-49)30-50-42)46(58)52-64(61,62)38-10-13-43(44(28-38)57(59)60)51-56-24-18-53(3)19-25-56/h4-13,26-28,30,50-51H,14-25,29,31,49H2,1-3H3,(H,52,58)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
13.7 -10.7n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair